Crystallography Open Database

Information card for entry 1570202

Preview

Coordinates	1570202.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CCS-1-407_250K
Formula	C35 H34 F3 N3 O8 S
Calculated formula	C35 H34 F3 N3 O8 S
Title of publication	Trifluoromethylarylation of alkenes using anilines.
Authors of publication	Corral Suarez, Carlos; Colomer, Ignacio
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	43
Pages of publication	12083 - 12090
a	5.929 ± 0.0019 Å
b	13.676 ± 0.004 Å
c	20.842 ± 0.006 Å
α	86.336 ± 0.014°
β	88.961 ± 0.014°
γ	85.079 ± 0.015°
Cell volume	1680.2 ± 0.9 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288733 (current)	2024-01-06	cif/ Updating files of 1570202 Original log message: Adding full bibliography for 1570202.cif.	1570202.cif
287146	2023-10-28	cif/ Adding structures of 1570202 via cif-deposit CGI script.	1570202.cif